{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.194701 0.995691 0.581523 ] [ 0.305299 0.995691 0.081523 ] [ 0.305299 0.504309 0.081523 ] [ 0.194701 0.504309 0.581523 ] [ 0.694701 0.495691 0.918477 ] [ 0.805299 0.495691 0.418477 ] [ 0.805299 0.004309 0.418477 ] [ 0.694701 0.004309 0.918477 ] [ 0.195327 0.25 0.820069 ] [ 0.304673 0.25 0.320069 ] [ 0.695327 0.75 0.679931 ] [ 0.804673 0.75 0.179931 ] [ 0.673173 0.25 0.661781 ] [ 0.826827 0.25 0.161781 ] [ 0.326827 0.75 0.338219 ] [ 0.173173 0.75 0.838219 ] [ 0.774034 0.039921 0.596822 ] [ 0.725966 0.039921 0.096822 ] [ 0.357312 0.25 0.661312 ] [ 0.729037 0.25 0.294983 ] [ 0.142688 0.25 0.161312 ] [ 0.770963 0.25 0.794983 ] [ 0.725966 0.460079 0.096822 ] [ 0.774034 0.460079 0.596822 ] [ 0.274034 0.539921 0.903178 ] [ 0.225966 0.539921 0.403178 ] [ 0.642688 0.75 0.338688 ] [ 0.857312 0.75 0.838688 ] [ 0.270963 0.75 0.705017 ] [ 0.229037 0.75 0.205017 ] [ 0.225966 0.960079 0.403178 ] [ 0.274034 0.960079 0.903178 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.71419018 "source-unit" "angstrom" } "b" { "source-value" 5.88922547 "source-unit" "angstrom" } "c" { "source-value" 10.90393708 "source-unit" "angstrom" } }